K261-1413 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide

K261-1413 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
K261-1413 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1413
N~1~-(3,4-dimethylphenyl)-2-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K261-1413

Molecular Formula

C17H17N3O3S2 (C17 H17 N3 O3 S2)

Compound Name

N~1~-(3,4-dimethylphenyl)-2-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide

IUPAC name

N-(34-dimethylphenyl)-2-[(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)sulfanyl]acetamide

SMILES

Cc(cc1)c(C)cc1NC(CSC(N1)=Nc(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C17H17N3O3S2/c1-11-7-8-13(9-12(11)2)18-16(21)10-24-17-19-14-5-3-4-6-15(14)25(22,23)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)

InChI Key

TZHMVHKQFRNKLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

0.997

Water Solubility, LogSw

-3.32

Polar Surface Area

73.374

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K261-1413 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1413?
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What is the minimum amount of K261-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1413
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K261-1413 available by request